[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone

C12H16BrN3O — CID 62959741

IUPAC[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
SMILESNCC1CCCN(C(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C12H16BrN3O/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyMDVWHXRPJMDCGT-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.65
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone

[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone (PubChem CID 62959741) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
PubChem CID62959741
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
SMILESNCC1CCCN(C(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C12H16BrN3O/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5-6,8,14H2
InChIKeyMDVWHXRPJMDCGT-UHFFFAOYSA-N
XLogP1.65
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone;dihydrochloride
CID 120727576
(5-bromo-2-pyridinyl)-[3-(2-chloroethyl)piperidin-1-yl]methanone
CID 63396142
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone
CID 115736878
[3-(aminomethyl)piperidin-1-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanone;dihydrochloride
CID 119464987
[3-(aminomethyl)piperidin-1-yl]-(4-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119465115
(5-bromo-2-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540200
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119464932
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone (CID 62959741) is [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone is NCC1CCCN(C(=O)c2ccc(Br)cn2)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone?
The InChIKey is MDVWHXRPJMDCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c13-10-3-4-11(15-7-10)12(17)16-5-1-2-9(6-14)8-16/h3-4,7,9H,1-2,5-6,8,14H2.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone?
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone has a molecular weight of 298.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone is sourced from PubChem (CID 62959741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).